SCHEMBL4511433

SCHEMBL4511433

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C(F)(F)c3ccc(F)c(F)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.38
MAT2A P31153 1/20 0.36
AOC3 Q16853 1/20 0.35
DDR1 Q08345 3/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TSHR P16473 1/20 0.34
CDK1 P06493 2/20 0.33
PRKCA P17252 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GRM1 Q13255 1/20 0.33
GSR P00390 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4509737 0.80 CNR1 (0.38) CNR1MAT2AAOC3HIF1ANPC1
SCHEMBL4514724 0.78 CNR1 (0.37) CNR1MAT2AAOC3HIF1ANPC1
SCHEMBL1993358 0.78 CNR1 (0.43) CNR1AOC3HIF1ANPC1PDE4A
SCHEMBL5435996 0.77 CDK1 (0.38) DDR1CDK1PRKCA
SCHEMBL5432523 0.77 MAOB (0.37) DDR1CDK1PRKCA
SCHEMBL4530785 0.76 MAT2A (0.38) CNR1MAT2AAOC3HIF1ANPC1
SCHEMBL4525433 0.76 POLB (0.37) CNR1MAT2AAOC3HIF1ANPC1
SCHEMBL11920294 0.75 MAT2A (0.37) CNR1MAT2AAOC3HIF1ANPC1
SCHEMBL4522510 0.75 GSR (0.40) CNR1MAT2AAOC3NPC1TSHR
SCHEMBL4515108 0.75 CNR1 (0.38) CNR1HIF1ANPC1PDE4APDE4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 CNR1 18/4885MAT2A 3846/4885AOC3 3862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.